SEQ2FUN

BioLiP

PDB CCD ID: N3M
Number of entries in BioLiP: 4
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey: PEMGGJDINLGTON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)Nc1cccc(c1)N
ACDLabs 12.01O=C(Nc1cccc(c1)N)C
CACTVS 3.370CC(=O)Nc1cccc(N)c1
Name:N-(3-aminophenyl)acetamide
ChEMBL: CHEMBL1606123
ZINC: ZINC000003874021
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).